USER MOD reduce.3.24.130724 H: found=0, std=0, add=57, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 45 hydrogens (0 hets) ATOM 1 CA GLY A 1 5.177 1.312 42.579 1.00 0.00 C ATOM 2 C GLY A 1 4.757 2.769 42.466 1.00 0.00 C ATOM 3 N VAL A 2 3.753 3.140 43.256 1.00 0.00 N ATOM 4 CA VAL A 2 3.233 4.504 43.267 1.00 0.00 C ATOM 5 C VAL A 2 4.330 5.489 43.636 1.00 0.00 C ATOM 6 O VAL A 2 4.539 6.492 42.955 1.00 0.00 O ATOM 0 H VAL A 2 3.280 2.508 43.902 1.00 0.00 H new ATOM 8 N ILE A 3 5.029 5.189 44.727 1.00 0.00 N ATOM 9 CA ILE A 3 6.115 6.033 45.214 1.00 0.00 C ATOM 10 C ILE A 3 7.279 6.020 44.236 1.00 0.00 C ATOM 11 O ILE A 3 8.023 6.993 44.118 1.00 0.00 O ATOM 0 H ILE A 3 4.860 4.359 45.295 1.00 0.00 H new ATOM 13 N ASP A 4 7.428 4.900 43.535 1.00 0.00 N ATOM 14 CA ASP A 4 8.496 4.729 42.555 1.00 0.00 C ATOM 15 C ASP A 4 8.462 5.849 41.528 1.00 0.00 C ATOM 16 O ASP A 4 9.476 6.485 41.247 1.00 0.00 O ATOM 0 H ASP A 4 6.816 4.090 43.629 1.00 0.00 H new ATOM 18 N THR A 5 7.277 6.081 40.971 1.00 0.00 N ATOM 19 CA THR A 5 7.077 7.123 39.968 1.00 0.00 C ATOM 20 C THR A 5 8.382 7.852 39.690 1.00 0.00 C ATOM 21 O THR A 5 8.758 8.067 38.539 1.00 0.00 O ATOM 0 H THR A 5 6.433 5.556 41.200 1.00 0.00 H new ATOM 23 N SER A 6 9.070 8.229 40.764 1.00 0.00 N ATOM 24 CA SER A 6 10.342 8.938 40.667 1.00 0.00 C ATOM 25 C SER A 6 11.360 8.104 39.907 1.00 0.00 C ATOM 26 O SER A 6 11.735 8.429 38.781 1.00 0.00 O ATOM 0 H SER A 6 8.764 8.053 41.721 1.00 0.00 H new ATOM 28 N ALA A 7 11.802 7.020 40.539 1.00 0.00 N ATOM 29 CA ALA A 7 12.781 6.116 39.943 1.00 0.00 C ATOM 30 C ALA A 7 12.185 5.401 38.742 1.00 0.00 C ATOM 31 O ALA A 7 12.889 5.051 37.796 1.00 0.00 O ATOM 0 H ALA A 7 11.494 6.745 41.472 1.00 0.00 H new ATOM 33 N VAL A 8 10.873 5.190 38.792 1.00 0.00 N ATOM 34 CA VAL A 8 10.149 4.517 37.717 1.00 0.00 C ATOM 35 C VAL A 8 10.323 5.268 36.407 1.00 0.00 C ATOM 36 O VAL A 8 10.539 4.669 35.354 1.00 0.00 O ATOM 0 H VAL A 8 10.284 5.478 39.573 1.00 0.00 H new ATOM 38 N GLU A 9 10.227 6.592 36.486 1.00 0.00 N ATOM 39 CA GLU A 9 10.370 7.456 35.317 1.00 0.00 C ATOM 40 C GLU A 9 11.597 7.062 34.511 1.00 0.00 C ATOM 41 O GLU A 9 11.545 6.947 33.288 1.00 0.00 O ATOM 0 H GLU A 9 10.049 7.094 37.356 1.00 0.00 H new ATOM 43 N SER A 10 12.706 6.856 35.216 1.00 0.00 N ATOM 44 CA SER A 10 13.968 6.473 34.591 1.00 0.00 C ATOM 45 C SER A 10 13.800 5.187 33.798 1.00 0.00 C ATOM 46 O SER A 10 14.244 5.082 32.656 1.00 0.00 O ATOM 0 H SER A 10 12.755 6.949 36.231 1.00 0.00 H new ATOM 48 N ALA A 11 13.150 4.208 34.421 1.00 0.00 N ATOM 49 CA ALA A 11 12.907 2.912 33.795 1.00 0.00 C ATOM 50 C ALA A 11 11.983 3.064 32.597 1.00 0.00 C ATOM 51 O ALA A 11 12.117 2.360 31.598 1.00 0.00 O ATOM 0 H ALA A 11 12.779 4.289 35.368 1.00 0.00 H new ATOM 53 N ILE A 12 11.042 3.996 32.712 1.00 0.00 N ATOM 54 CA ILE A 12 10.077 4.266 31.650 1.00 0.00 C ATOM 55 C ILE A 12 10.787 4.750 30.396 1.00 0.00 C ATOM 56 O ILE A 12 10.445 4.359 29.281 1.00 0.00 O ATOM 0 H ILE A 12 10.926 4.583 33.538 1.00 0.00 H new ATOM 58 N THR A 13 11.783 5.608 30.595 1.00 0.00 N ATOM 59 CA THR A 13 12.563 6.165 29.494 1.00 0.00 C ATOM 60 C THR A 13 13.341 5.069 28.784 1.00 0.00 C ATOM 61 O THR A 13 13.510 5.096 27.566 1.00 0.00 O ATOM 0 H THR A 13 12.071 5.935 31.517 1.00 0.00 H new ATOM 63 N ASP A 14 13.813 4.101 29.565 1.00 0.00 N ATOM 64 CA ASP A 14 14.580 2.977 29.037 1.00 0.00 C ATOM 65 C ASP A 14 13.650 1.928 28.448 1.00 0.00 C ATOM 66 O ASP A 14 13.671 1.662 27.247 1.00 0.00 O ATOM 0 H ASP A 14 13.676 4.073 30.575 1.00 0.00 H new ATOM 68 N GLY A 15 12.832 1.335 29.313 1.00 0.00 N ATOM 69 CA GLY A 15 11.879 0.306 28.905 1.00 0.00 C ATOM 70 C GLY A 15 10.909 0.858 27.874 1.00 0.00 C ATOM 71 O GLY A 15 10.932 0.470 26.707 1.00 0.00 O ATOM 0 H GLY A 15 12.810 1.552 30.309 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.413 -0.549 28.490 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.329 -0.054 29.774 1.00 0.00 H new ATOM 73 N GLN A 16 10.054 1.773 28.321 1.00 0.00 N ATOM 74 CA GLN A 16 9.059 2.400 27.456 1.00 0.00 C ATOM 75 C GLN A 16 9.737 3.230 26.378 1.00 0.00 C ATOM 76 O GLN A 16 9.340 3.210 25.215 1.00 0.00 O ATOM 0 H GLN A 16 10.031 2.099 29.287 1.00 0.00 H new ATOM 78 N GLY A 17 10.771 3.963 26.784 1.00 0.00 N ATOM 79 CA GLY A 17 11.528 4.815 25.871 1.00 0.00 C ATOM 80 C GLY A 17 12.247 3.973 24.830 1.00 0.00 C ATOM 81 O GLY A 17 12.179 4.247 23.633 1.00 0.00 O ATOM 0 H GLY A 17 11.106 3.983 27.747 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.856 5.517 25.378 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.252 5.406 26.432 1.00 0.00 H new ATOM 83 N ASP A 18 12.937 2.939 25.303 1.00 0.00 N ATOM 84 CA ASP A 18 13.682 2.034 24.432 1.00 0.00 C ATOM 85 C ASP A 18 12.730 1.222 23.570 1.00 0.00 C ATOM 86 O ASP A 18 13.114 0.679 22.535 1.00 0.00 O ATOM 0 H ASP A 18 12.996 2.705 26.294 1.00 0.00 H new ATOM 88 N MET A 19 11.478 1.145 24.012 1.00 0.00 N ATOM 89 CA MET A 19 10.443 0.402 23.298 1.00 0.00 C ATOM 90 C MET A 19 10.169 1.038 21.945 1.00 0.00 C ATOM 91 O MET A 19 10.081 0.354 20.926 1.00 0.00 O ATOM 0 H MET A 19 11.153 1.592 24.869 1.00 0.00 H new ATOM 93 N LYS A 20 10.035 2.361 21.948 1.00 0.00 N ATOM 94 CA LYS A 20 9.770 3.122 20.730 1.00 0.00 C ATOM 95 C LYS A 20 10.897 2.933 19.728 1.00 0.00 C ATOM 96 O LYS A 20 10.667 2.815 18.526 1.00 0.00 O ATOM 0 H LYS A 20 10.106 2.934 22.789 1.00 0.00 H new ATOM 98 N ALA A 21 12.124 2.906 20.242 1.00 0.00 N ATOM 99 CA ALA A 21 13.313 2.733 19.413 1.00 0.00 C ATOM 100 C ALA A 21 13.291 1.376 18.728 1.00 0.00 C ATOM 101 O ALA A 21 13.669 1.245 17.565 1.00 0.00 O ATOM 0 H ALA A 21 12.321 3.003 21.238 1.00 0.00 H new ATOM 103 N ILE A 22 12.841 0.366 19.467 1.00 0.00 N ATOM 104 CA ILE A 22 12.757 -0.998 18.954 1.00 0.00 C ATOM 105 C ILE A 22 11.725 -1.086 17.841 1.00 0.00 C ATOM 106 O ILE A 22 11.938 -1.750 16.828 1.00 0.00 O ATOM 0 H ILE A 22 12.526 0.468 20.432 1.00 0.00 H new ATOM 108 N GLY A 23 10.601 -0.406 18.045 1.00 0.00 N ATOM 109 CA GLY A 23 9.512 -0.389 17.071 1.00 0.00 C ATOM 110 C GLY A 23 9.969 0.259 15.774 1.00 0.00 C ATOM 111 O GLY A 23 9.620 -0.188 14.683 1.00 0.00 O ATOM 0 H GLY A 23 10.419 0.145 18.883 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.174 -1.407 16.877 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.661 0.157 17.477 1.00 0.00 H new ATOM 113 N GLY A 24 10.756 1.323 15.909 1.00 0.00 N ATOM 114 CA GLY A 24 11.278 2.057 14.760 1.00 0.00 C ATOM 115 C GLY A 24 12.341 1.239 14.044 1.00 0.00 C ATOM 116 O GLY A 24 12.300 1.070 12.826 1.00 0.00 O ATOM 0 H GLY A 24 11.048 1.699 16.811 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.466 2.292 14.071 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.701 3.006 15.089 1.00 0.00 H new ATOM 118 N TYR A 25 13.296 0.733 14.819 1.00 0.00 N ATOM 119 CA TYR A 25 14.388 -0.075 14.284 1.00 0.00 C ATOM 120 C TYR A 25 13.843 -1.297 13.564 1.00 0.00 C ATOM 121 O TYR A 25 14.300 -1.653 12.479 1.00 0.00 O ATOM 0 H TYR A 25 13.335 0.870 15.829 1.00 0.00 H new ATOM 123 N ILE A 26 12.855 -1.937 14.184 1.00 0.00 N ATOM 124 CA ILE A 26 12.224 -3.128 13.624 1.00 0.00 C ATOM 125 C ILE A 26 11.545 -2.800 12.304 1.00 0.00 C ATOM 126 O ILE A 26 11.646 -3.548 11.333 1.00 0.00 O ATOM 0 H ILE A 26 12.471 -1.647 15.083 1.00 0.00 H new ATOM 128 N VAL A 27 10.848 -1.667 12.282 1.00 0.00 N ATOM 129 CA VAL A 27 10.138 -1.210 11.091 1.00 0.00 C ATOM 130 C VAL A 27 11.118 -0.923 9.965 1.00 0.00 C ATOM 131 O VAL A 27 10.840 -1.189 8.796 1.00 0.00 O ATOM 0 H VAL A 27 10.760 -1.043 13.084 1.00 0.00 H new ATOM 133 N GLY A 28 12.272 -0.374 10.333 1.00 0.00 N ATOM 134 CA GLY A 28 13.318 -0.037 9.371 1.00 0.00 C ATOM 135 C GLY A 28 13.710 -1.262 8.561 1.00 0.00 C ATOM 136 O GLY A 28 13.855 -1.198 7.341 1.00 0.00 O ATOM 0 H GLY A 28 12.508 -0.151 11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.967 0.750 8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.190 0.354 9.895 1.00 0.00 H new ATOM 138 N ALA A 29 13.880 -2.382 9.258 1.00 0.00 N ATOM 139 CA ALA A 29 14.257 -3.644 8.627 1.00 0.00 C ATOM 140 C ALA A 29 13.131 -4.154 7.742 1.00 0.00 C ATOM 141 O ALA A 29 13.364 -4.675 6.653 1.00 0.00 O ATOM 0 H ALA A 29 13.761 -2.441 10.269 1.00 0.00 H new ATOM 143 N LEU A 30 11.903 -3.997 8.228 1.00 0.00 N ATOM 144 CA LEU A 30 10.715 -4.434 7.500 1.00 0.00 C ATOM 145 C LEU A 30 10.615 -3.717 6.164 1.00 0.00 C ATOM 146 O LEU A 30 10.254 -4.310 5.149 1.00 0.00 O ATOM 0 H LEU A 30 11.704 -3.567 9.131 1.00 0.00 H new ATOM 148 N VAL A 31 10.940 -2.427 6.179 1.00 0.00 N ATOM 149 CA VAL A 31 10.896 -1.598 4.978 1.00 0.00 C ATOM 150 C VAL A 31 11.907 -2.089 3.954 1.00 0.00 C ATOM 151 O VAL A 31 11.631 -2.128 2.756 1.00 0.00 O ATOM 0 H VAL A 31 11.239 -1.930 7.018 1.00 0.00 H new ATOM 153 N ILE A 32 13.085 -2.465 4.445 1.00 0.00 N ATOM 154 CA ILE A 32 14.162 -2.960 3.593 1.00 0.00 C ATOM 155 C ILE A 32 13.745 -4.249 2.903 1.00 0.00 C ATOM 156 O ILE A 32 13.995 -4.445 1.715 1.00 0.00 O ATOM 0 H ILE A 32 13.319 -2.436 5.437 1.00 0.00 H new ATOM 158 N LEU A 33 13.104 -5.129 3.668 1.00 0.00 N ATOM 159 CA LEU A 33 12.638 -6.414 3.156 1.00 0.00 C ATOM 160 C LEU A 33 11.588 -6.208 2.076 1.00 0.00 C ATOM 161 O LEU A 33 11.625 -6.843 1.023 1.00 0.00 O ATOM 0 H LEU A 33 12.894 -4.973 4.654 1.00 0.00 H new ATOM 163 N ALA A 34 10.649 -5.308 2.353 1.00 0.00 N ATOM 164 CA ALA A 34 9.570 -4.995 1.420 1.00 0.00 C ATOM 165 C ALA A 34 10.136 -4.589 0.069 1.00 0.00 C ATOM 166 O ALA A 34 9.516 -4.803 -0.971 1.00 0.00 O ATOM 0 H ALA A 34 10.614 -4.778 3.224 1.00 0.00 H new ATOM 168 N VAL A 35 11.327 -3.997 0.099 1.00 0.00 N ATOM 169 CA VAL A 35 12.006 -3.547 -1.113 1.00 0.00 C ATOM 170 C VAL A 35 12.221 -4.712 -2.066 1.00 0.00 C ATOM 171 O VAL A 35 12.191 -4.550 -3.285 1.00 0.00 O ATOM 0 H VAL A 35 11.846 -3.816 0.958 1.00 0.00 H new ATOM 173 N ALA A 36 12.439 -5.891 -1.492 1.00 0.00 N ATOM 174 CA ALA A 36 12.664 -7.107 -2.268 1.00 0.00 C ATOM 175 C ALA A 36 11.394 -7.516 -2.997 1.00 0.00 C ATOM 176 O ALA A 36 11.432 -7.946 -4.149 1.00 0.00 O ATOM 0 H ALA A 36 12.465 -6.031 -0.482 1.00 0.00 H new ATOM 178 N GLY A 37 10.265 -7.375 -2.308 1.00 0.00 N ATOM 179 CA GLY A 37 8.962 -7.723 -2.866 1.00 0.00 C ATOM 180 C GLY A 37 8.743 -7.011 -4.191 1.00 0.00 C ATOM 181 O GLY A 37 8.376 -7.626 -5.191 1.00 0.00 O ATOM 0 H GLY A 37 10.227 -7.019 -1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.898 -8.801 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.174 -7.449 -2.164 1.00 0.00 H new ATOM 183 N LEU A 38 8.974 -5.701 -4.185 1.00 0.00 N ATOM 184 CA LEU A 38 8.810 -4.874 -5.376 1.00 0.00 C ATOM 185 C LEU A 38 9.809 -5.280 -6.448 1.00 0.00 C ATOM 186 O LEU A 38 9.461 -5.431 -7.618 1.00 0.00 O ATOM 0 H LEU A 38 9.278 -5.186 -3.359 1.00 0.00 H new ATOM 188 N ILE A 39 11.060 -5.456 -6.031 1.00 0.00 N ATOM 189 CA ILE A 39 12.136 -5.846 -6.936 1.00 0.00 C ATOM 190 C ILE A 39 11.777 -7.129 -7.668 1.00 0.00 C ATOM 191 O ILE A 39 11.927 -7.231 -8.885 1.00 0.00 O ATOM 0 H ILE A 39 11.355 -5.333 -5.062 1.00 0.00 H new ATOM 193 N TYR A 40 11.299 -8.110 -6.908 1.00 0.00 N ATOM 194 CA TYR A 40 10.908 -9.404 -7.459 1.00 0.00 C ATOM 195 C TYR A 40 9.726 -9.246 -8.402 1.00 0.00 C ATOM 196 O TYR A 40 9.698 -9.823 -9.488 1.00 0.00 O ATOM 0 H TYR A 40 11.172 -8.032 -5.899 1.00 0.00 H new ATOM 198 N SER A 41 8.749 -8.453 -7.972 1.00 0.00 N ATOM 199 CA SER A 41 7.547 -8.198 -8.760 1.00 0.00 C ATOM 200 C SER A 41 7.909 -7.560 -10.091 1.00 0.00 C ATOM 201 O SER A 41 7.329 -7.879 -11.128 1.00 0.00 O ATOM 0 H SER A 41 8.767 -7.972 -7.073 1.00 0.00 H new ATOM 203 N MET A 42 8.878 -6.650 -10.047 1.00 0.00 N ATOM 204 CA MET A 42 9.341 -5.946 -11.240 1.00 0.00 C ATOM 205 C MET A 42 10.052 -6.905 -12.182 1.00 0.00 C ATOM 206 O MET A 42 9.871 -6.853 -13.397 1.00 0.00 O ATOM 0 H MET A 42 9.362 -6.381 -9.190 1.00 0.00 H new ATOM 208 N LEU A 43 10.864 -7.784 -11.602 1.00 0.00 N ATOM 209 CA LEU A 43 11.619 -8.771 -12.368 1.00 0.00 C ATOM 210 C LEU A 43 10.703 -9.884 -12.850 1.00 0.00 C ATOM 211 O LEU A 43 10.890 -10.438 -13.932 1.00 0.00 O ATOM 0 H LEU A 43 11.017 -7.833 -10.595 1.00 0.00 H new ATOM 213 N ARG A 44 9.707 -10.205 -12.029 1.00 0.00 N ATOM 214 CA ARG A 44 8.741 -11.252 -12.347 1.00 0.00 C ATOM 215 C ARG A 44 7.695 -10.734 -13.321 1.00 0.00 C ATOM 216 O ARG A 44 7.053 -11.504 -14.034 1.00 0.00 O ATOM 0 H ARG A 44 9.547 -9.750 -11.130 1.00 0.00 H new ATOM 218 N LYS A 45 7.533 -9.415 -13.342 1.00 0.00 N ATOM 219 CA LYS A 45 6.568 -8.761 -14.222 1.00 0.00 C ATOM 220 C LYS A 45 7.279 -8.097 -15.390 1.00 0.00 C ATOM 221 O LYS A 45 6.746 -8.016 -16.496 1.00 0.00 O ATOM 0 H LYS A 45 8.063 -8.772 -12.754 1.00 0.00 H new ATOM 223 N ALA A 46 8.493 -7.620 -15.129 1.00 0.00 N ATOM 224 CA ALA A 46 9.305 -6.955 -16.143 1.00 0.00 C ATOM 0 H ALA A 46 8.939 -7.683 -14.214 1.00 0.00 H new